5-methyl-3-nitroso-1H-1,2,4-triazole

C3H4N4O — CID 89233076

IUPAC5-methyl-3-nitroso-1H-1,2,4-triazole
SMILESCc1nc(N=O)n[nH]1
InChIInChI=1S/C3H4N4O/c1-2-4-3(7-8)6-5-2/h1H3,(H,4,5,6)
InChIKeyONQKYDGSHMRVTM-UHFFFAOYSA-N
MW112.09 g/mol
LogP0.51
Rot. Bonds1

About 5-methyl-3-nitroso-1H-1,2,4-triazole

5-methyl-3-nitroso-1H-1,2,4-triazole (PubChem CID 89233076) has the molecular formula C3H4N4O and a molecular weight of 112.09 g/mol. Its IUPAC name is 5-methyl-3-nitroso-1H-1,2,4-triazole.

Molecular Properties

Compound Name5-methyl-3-nitroso-1H-1,2,4-triazole
PubChem CID89233076
Molecular FormulaC3H4N4O
Molecular Weight112.09 g/mol
Exact Mass112.04
IUPAC Name5-methyl-3-nitroso-1H-1,2,4-triazole
SMILESCc1nc(N=O)n[nH]1
InChIInChI=1S/C3H4N4O/c1-2-4-3(7-8)6-5-2/h1H3,(H,4,5,6)
InChIKeyONQKYDGSHMRVTM-UHFFFAOYSA-N
XLogP0.51
TPSA71.00 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500112.09
LogP ≤ 50.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-3-nitroso-1H-1,2,4-triazole?
The IUPAC name of 5-methyl-3-nitroso-1H-1,2,4-triazole (CID 89233076) is 5-methyl-3-nitroso-1H-1,2,4-triazole.
What is the SMILES notation for 5-methyl-3-nitroso-1H-1,2,4-triazole?
The canonical SMILES for 5-methyl-3-nitroso-1H-1,2,4-triazole is Cc1nc(N=O)n[nH]1.
What is the InChIKey of 5-methyl-3-nitroso-1H-1,2,4-triazole?
The InChIKey is ONQKYDGSHMRVTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H4N4O/c1-2-4-3(7-8)6-5-2/h1H3,(H,4,5,6).
What are the key properties of 5-methyl-3-nitroso-1H-1,2,4-triazole?
5-methyl-3-nitroso-1H-1,2,4-triazole has a molecular weight of 112.09 g/mol, XLogP of 0.51, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-3-nitroso-1H-1,2,4-triazole is sourced from PubChem (CID 89233076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).